Vitas-M small molecule compound
4-(2-carboxy-4-{[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetyl]amino}phenyl)-1-methylpiperazin-1-ium
Catalog ID
STL422343
SMILES COc1c(OC)ccc2c1C(=O)OC2CC(=O)Nc1ccc(c(c1)C(=O)O)N1CC[NH+](CC1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H28N3O7 MW 470.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N3O7/c1-26-8-10-27(11-9-26)17-6-4-14(12-16(17)23(29)30)25-20(28)13-19-15-5-7-18(32-2)22(33-3)21(15)24(31)34-19/h4-7,12,19H,8-11,13H2,1-3H3,(H,25,28)(H,29,30)/p+1InChIKey
KFHHIYKXBDNJCW-UHFFFAOYSA-OSynonyms
(O)C(=O)CCOc1c(OC)ccc2c1C(=O)OC2CC(=O)Nc1ccc(c(c1)C(=O)O)N1CC(NH+)(CC1)C
4(2carboxy4(((45dimethoxy3oxo13dihydro2benzofuran1yl)acetyl)amino)phenyl)1methylpiperazin1ium
4(2carboxy4(2(45dimethoxy3oxo13dihydroisobenzofuran1yl)acetamido)phenyl)1methylpiperazin1iumacetate
5((2(45dimethoxy3oxo1H2benzofuran1yl)acetyl)amino)2(4methylpiperazin4ium1yl)benzoicacid
C(NH+)1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=O)O
COc1c(OC)ccc2c1C(=O)OC2CC(=O)Nc1ccc(c(c1)C(=O)O)N1CC(NH+)(CC1)C
InChI=1SC24H27N3O7c12681027(11926)176414(1216(17)23(29)30)2520(28)1319155718(322)22(333)21(15)24(31)3419h471219H81113H213H3(H2528)(H2930)p+1
ZINC000218209938
ZINC000218210007
Check stock
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